CID 108291

Brn 1593169

Structural Information

Molecular Formula
C13H17N4O2P
SMILES
C1CN1P(=O)(C=CNC(=O)NC2=CC=CC=C2)N3CC3
InChI
InChI=1S/C13H17N4O2P/c18-13(15-12-4-2-1-3-5-12)14-6-11-20(19,16-7-8-16)17-9-10-17/h1-6,11H,7-10H2,(H2,14,15,18)
InChIKey
LDSBLKAMJYFFIF-UHFFFAOYSA-N
Compound name
1-[2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10892 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11620 148.6
[M+Na]+ 315.09814 158.9
[M+NH4]+ 310.14274 154.6
[M+K]+ 331.07208 158.4
[M-H]- 291.10164 162.4
[M+Na-2H]- 313.08359 159.5
[M]+ 292.10837 155.5
[M]- 292.10947 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.